[1-[4-(4-tert-butyl-2-fluoranyl-phenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[4-(4-tert-butyl-2-fluoranyl-phenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(4-tert-butyl-2-fluoro-phenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(4-tert-butyl-2-fluorophenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(4-tert-butyl-2-fluorophenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(4-tert-butyl-2-fluoro-phenoxy)phenyl]-1-esyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C24H30FN2O3S+ MolecularWeight: 445.570003

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C(C)(C)C)F

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C(C)(C)C)F

InChI

InChI=1S/C24H30FN2O3S/c1-5-31(28,29)27(14-6-7-18(16-26)17-27)20-9-11-21(12-10-20)30-23-13-8-19(15-22(23)25)24(2,3)4/h6-13,15,17H,5,14,16,26H2,1-4H3/q+1